sodium dihydrogen (16O4)phosphate

• ChemBase ID: 135320
• Molecular Formular: H2NaO4P
• Molecular Mass: 119.95906948
• Monoisotopic Mass: 119.95883946
• SMILES: [16OH]P(=[16O])([16OH])[16O-].[Na+]
• Canonical SMILES: [16O-]P(=[16O])([16OH])[16OH].[Na+]
• InChI: InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1/i;1+0,2+0,3+0,4+0
• InChIKey: AJPJDKMHJJGVTQ-HSUBZZBUSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium dihydrogen (^1^6O₄)phosphate
• IUPAC Traditional name: sodium dihydrogen (^1^6O₄)phosphate
• Synonyms: Sodium dihydrogen phosphate-16O4; Sodium phosphate monobasic-16O4; 磷酸一钠-16O4; 磷酸二氢钠-16O4

Database IDs

• MDL Number: MFCD04113752
• PubChem SID: 162229594
• PubChem CID: 71307395

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 13.5302 cm^3
• Polarizability: 5.806723 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: depleted

Product Information

• Isotopic Purity: 99.9 atom % 16O
• Description: 18O-depleted
• Mol. Weight: mol wt 119.96 by atom % calculation
• Linear Formula: NaH2P16O4

DETAILS

Sigma Aldrich - 609773

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.